1-[(2S,4S)-2-{[4-(2,3-dihydro-1H-indole-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[(2S,4S)-2-{[4-(2,3-dihydro-1H-indole-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl]ethan-1-one
1-[(2S,4S)-2-{[4-(2,3-dihydro-1H-indole-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB21-0514 |
| Compound Name: | 1-[(2S,4S)-2-{[4-(2,3-dihydro-1H-indole-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C18 H20 F N5 O2 |
| Smiles: | CC(N1C[C@H](C[C@H]1Cn1cc(C(N2CCc3ccccc23)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9694 |
| logD: | 0.9694 |
| logSw: | -1.5004 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.764 |
| InChI Key: | QSQSGHYQWYBDKE-LSDHHAIUSA-N |